methyl 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C19H20N4O3S/c1-25-12-11-23-17(15-7-9-20-10-8-15)21-22-19(23)27-13-14-3-5-16(6-4-14)18(24)26-2/h3-10H,11-13H2,1-2H3